SCHEMBL7973319

SCHEMBL7973319

O=C(COc1ccccc1)NC(Cc1ccccc1)C(=O)NNc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
KDM1A O60341 1/20 0.58
MAOA P21397 1/20 0.58
GPR34 Q9UPC5 8/20 0.57
PSMB5 P28074 1/20 0.56
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CTSL P07711 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7975877 0.91 HDAC8 (0.63) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL3562537 0.84 HDAC8 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL12694145 0.84 HDAC8 (0.61) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7973309 0.84 TACR1 (0.65) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL12694131 0.84 GPR34 (0.61) HDAC8KDM1AMAOAGPR34PSMB5
SCHEMBL7970010 0.83 GPR34 (0.73) KDM1AMAOAGPR34PSMB5MEN1
SCHEMBL7296506 0.83 GPR34 (0.73) KDM1AMAOAGPR34PSMB5MEN1
SCHEMBL10727176 0.83 GPR34 (0.73) KDM1AMAOAGPR34PSMB5MEN1
SCHEMBL8114770 0.81 HDAC3 (0.69) HDAC8HDAC3HDAC4HDAC1HDAC2
SCHEMBL7970027 0.78 TACR1 (0.70) HDAC8HDAC3HDAC4HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271247-B1 BINDING TO NEUROPEPTIDE RECEPTORS ADIR ET COMPAGNIE (FR) 2001-08-07 US disclosed
US-6172108-B1 NEUROPEPTIDE Y RECEPTOR LIGANDS; TREATING PSYCHOLOGICAL, EATING, SLEEP, AND SEXUAL DISORDERS; HYPOTENSIVE, ANXIOLYTIC, ANTIDEPRESSANT, AND ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 2001-01-09 US disclosed
EP-1010691-A2 Hydrazide derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed